@MOLECULE n-(6-aminohexyl)adenosine 5'-(dihydrogen phosphate) 57 59 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -2.6478 1.4263 0.6076 C.3 1 UNL1 0.2572 2 C -2.9034 2.3351 -0.6357 C.3 1 UNL1 0.0364 3 C -4.3838 2.0631 -0.9850 C.3 1 UNL1 0.0862 4 C -4.6623 0.6867 -0.3385 C.3 1 UNL1 0.0392 5 C -1.0215 -0.6251 0.5515 C.ar 1 UNL1 0.1671 6 C 1.3619 3.1307 0.2630 C.ar 1 UNL1 0.3111 7 C -4.6081 -0.4734 -1.3411 C.3 1 UNL1 -0.0405 8 C 4.6410 0.5998 0.1634 C.3 1 UNL1 -0.0630 9 C 5.6314 -0.5718 0.1875 C.3 1 UNL1 -0.2976 10 C 7.0501 -0.0472 -0.0611 C.3 1 UNL1 -0.2637 11 C 8.0657 -1.1962 -0.0314 C.3 1 UNL1 -0.2745 12 C 9.4706 -0.6737 -0.3456 C.3 1 UNL1 -0.2856 13 C 10.4959 -1.8198 -0.2914 C.3 1 UNL1 -0.1036 14 H -1.7928 3.8325 -0.0291 H 1 UNL1 0.3767 15 H -4.7945 3.7365 -0.0111 H 1 UNL1 0.3508 16 H 3.1082 -0.9055 0.3605 H 1 UNL1 0.3369 17 H 12.1271 -0.5501 -0.0809 H 1 UNL1 0.2456 18 H 12.5241 -2.0175 -0.6885 H 1 UNL1 0.2474 19 C 2.2121 0.9348 0.3288 C.ar 1 UNL1 0.4533 20 O -3.6584 -3.4077 -0.4616 O.2 1 UNL1 -0.2476 21 O -2.7518 3.6770 -0.2728 O.3 1 UNL1 -0.5613 22 O -5.2818 2.9774 -0.4121 O.3 1 UNL1 -0.5427 23 O -6.1593 -3.7177 -0.0864 O.3 1 UNL1 -0.2346 24 O -4.9447 -2.2531 1.4907 O.3 1 UNL1 -0.3880 25 O -5.4490 -1.5272 -0.8692 O.3 1 UNL1 -0.3388 26 H -6.9706 -3.1872 0.2758 H 1 UNL1 0.3069 27 H -4.3219 -1.4433 1.5794 H 1 UNL1 0.3327 28 O -3.6615 0.4591 0.6657 O.3 1 UNL1 -0.4350 29 N 11.8237 -1.2950 -0.6852 N.3 1 UNL1 -0.6478 30 N 0.2966 -0.8072 0.5052 N.ar 1 UNL1 -0.3470 31 N 0.0550 2.7926 0.3357 N.ar 1 UNL1 -0.5678 32 N 2.4204 2.2896 0.2523 N.ar 1 UNL1 -0.5761 33 N 3.2682 0.0937 0.3091 N.pl3 1 UNL1 -0.4559 34 P -4.8847 -2.7757 -0.0179 P.3 1 UNL1 0.3525 35 C -0.1574 1.4506 0.4192 C.ar 1 UNL1 0.2669 36 C 0.8726 0.4587 0.4212 C.ar 1 UNL1 -0.1991 37 N -1.3568 0.7523 0.4851 N.ar 1 UNL1 -0.3915 38 H -2.6890 1.9899 1.5771 H 1 UNL1 0.1717 39 H -2.2237 2.1047 -1.4837 H 1 UNL1 0.1518 40 H -4.5842 2.0979 -2.0751 H 1 UNL1 0.1482 41 H -5.6177 0.7002 0.2410 H 1 UNL1 0.1854 42 H -1.7716 -1.4024 0.6184 H 1 UNL1 0.2224 43 H -5.1303 -0.2102 -2.2902 H 1 UNL1 0.1448 44 H -3.5635 -0.7539 -1.5859 H 1 UNL1 0.1481 45 H 1.5961 4.2085 0.2014 H 1 UNL1 0.1991 46 H 4.8550 1.3275 0.9832 H 1 UNL1 0.1619 47 H 4.7222 1.1775 -0.7888 H 1 UNL1 0.1581 48 H 5.5841 -1.0978 1.1605 H 1 UNL1 0.1494 49 H 5.3655 -1.3216 -0.5829 H 1 UNL1 0.1485 50 H 7.0994 0.4723 -1.0379 H 1 UNL1 0.1432 51 H 7.3170 0.7119 0.6990 H 1 UNL1 0.1414 52 H 8.0534 -1.6900 0.9584 H 1 UNL1 0.1371 53 H 7.7802 -1.9750 -0.7643 H 1 UNL1 0.1400 54 H 9.4976 -0.2079 -1.3514 H 1 UNL1 0.1582 55 H 9.7539 0.1273 0.3609 H 1 UNL1 0.1377 56 H 10.4973 -2.2866 0.7161 H 1 UNL1 0.1064 57 H 10.2171 -2.6137 -1.0198 H 1 UNL1 0.1413 @BOND 1 43 7 1 2 40 3 1 3 44 7 1 4 39 2 1 5 54 12 1 6 7 25 1 7 7 4 1 8 50 10 1 9 57 13 1 10 3 2 1 11 3 22 1 12 3 4 1 13 25 34 1 14 47 8 1 15 53 11 1 16 18 29 1 17 29 13 1 18 29 17 1 19 2 21 1 20 2 1 1 21 49 9 1 22 20 34 2 23 22 15 1 24 12 13 1 25 12 11 1 26 12 55 1 27 4 41 1 28 4 28 1 29 13 56 1 30 21 14 1 31 23 34 1 32 23 26 1 33 10 11 1 34 10 9 1 35 10 51 1 36 11 52 1 37 34 24 1 38 8 9 1 39 8 33 1 40 8 46 1 41 9 48 1 42 45 6 1 43 32 6 ar 44 32 19 ar 45 6 31 ar 46 33 19 1 47 33 16 1 48 19 36 ar 49 31 35 ar 50 35 36 ar 51 35 37 ar 52 36 30 ar 53 37 5 ar 54 37 1 1 55 30 5 ar 56 5 42 1 57 1 28 1 58 1 38 1 59 24 27 1